2-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-chlorophenyl)-4(3H)-quinazolinone

SpectraBase Compound ID	275DxzgtO6O
InChI	InChI=1S/C18H15ClN6OS/c1-11-22-23-18(25(11)20)27-10-16-21-14-8-4-2-6-12(14)17(26)24(16)15-9-5-3-7-13(15)19/h2-9H,10,20H2,1H3
InChIKey	BQCMUZBRGIQEAZ-UHFFFAOYSA-N Google Search
Mol Weight	398.87 g/mol
Molecular Formula	C18H15ClN6OS
Exact Mass	398.071658 g/mol

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SpectraBase Spectrum ID	5qjSlCYq8dQ
Name	2-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-chlorophenyl)-4(3H)-quinazolinone
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H15ClN6OS/c1-11-22-23-18(25(11)20)27-10-16-21-14-8-4-2-6-12(14)17(26)24(16)15-9-5-3-7-13(15)19/h2-9H,10,20H2,1H3
InChIKey	BQCMUZBRGIQEAZ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5854
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11231599; Labnumber: LP-2110548; IOH_ID: IOH-005855